SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:11]([C@@:10]1([H:47])[N:6]([C:4]([C@:2]([C:1]([H:49])([H:50])[H:51])([N:3]([H:26])[H:27])[H:48])=[O:5])[C:7]([H:28])([H:29])[C:8]([H:30])([H:31])[C:9]1([H:32])[H:33])=[O:12].[H][O:25][H:52]>>[C:1]([C@:2]([N:3]([H:26])[H:27])([C:4](=[O:5])[N:6]1[C:7]([H:28])([H:29])[C:8]([H:30])([H:31])[C:9]([H:32])([H:33])[C@:10]1([C:11](=[O:12])[O:25][H:52])[H:47])[H:48])([H:49])([H:50])[H:51]
Derived Operators
EVODEX.1-F440 - Elemental Balance
| C | -6 |
| N | -4 |
| O | -2 |
| H | -14 |
EVODEX.1-M423 - Mass Difference
-174.11182000000002
EVODEX.1-E1249 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:16](-[H:33])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:16]-[H:33]
EVODEX.1-C1415 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:11]-[#6@@:10].[H]-[#8:25]>>[#6:11](-[#6@:10])-[#8:25]
EVODEX.1-N1799 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:11](-[#6@@:10](-[H:47])(-[#7:6])-[#6:9])=[#8:12].[H]-[#8:25]-[H:52]>>[#7:6]-[#6@@:10](-[#6:9])(-[#6:11](=[#8:12])-[#8:25]-[H:52])-[H:47]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5608
[C:1]([C@:2]([N:3]([H:26])[H:27])([C:4](=[O:5])[N:6]1[C:7]([H:28])([H:29])[C:8]([H:30])([H:31])[C:9]([H:32])([H:33])[C@:10]1([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:34])[N:21]([H:35])[H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])[H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][O:25][H:52]>>[C:1]([C@:2]([N:3]([H:26])[H:27])([C:4](=[O:5])[N:6]1[C:7]([H:28])([H:29])[C:8]([H:30])([H:31])[C:9]([H:32])([H:33])[C@:10]1([C:11](=[O:12])[O:25][H:52])[H:47])[H:48])([H:49])([H:50])[H:51].[H][N:13]([C@@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:34])[N:21]([H:35])[H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])[H:46]